SCHEMBL26526690

SCHEMBL26526690

COc1ccc(N/C=C2/C(=O)CC(c3ccccc3)CC2O)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ MAOA P21397 3/20 0.40
▸ MAOB P27338 3/20 0.40
▸ KMT2A Q03164 7/20 0.39
▸ MEN1 O00255 6/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ PABPC1 P11940 5/20 0.39
▸ CHRNA7 P36544 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29581838 0.83 MAP1LC3B (0.47) NPC1RAB9AMAOAMAOBKMT2A
SCHEMBL21821844 0.83 MAP1LC3B (0.47) NPC1RAB9AMAOAMAOBKMT2A
SCHEMBL20808435 0.68 ALDH1A1 (0.40) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL21792641 0.67 MAP1LC3B (0.40) RAB9AKMT2AMEN1ALDH1A1POLB
SCHEMBL29692810 0.63 ALDH1A1 (0.60) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL2206344 0.63 ALDH1A1 (0.60) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL196260 0.63 KMT2A (0.51) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL24379788 0.62 SLC18A3 (0.45) KMT2AMEN1ALDH1A1KDM1AHTT
SCHEMBL1726142 0.62 NPC1 (0.54) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL1726140 0.62 NPC1 (0.54) NPC1RAB9AKMT2AMEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3632903-B1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF WIGEN BIOMEDICINE TECH SHANGHAI CO LTD (CN) 2023-10-11 — — EP disclosed
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